4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H26N8O — CID 155776171

IUPAC4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C5=CCCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C27H26N8O/c1-32-17-23(16-30-32)21-12-24(26-22(13-28)15-31-35(26)18-21)20-6-7-25(29-14-20)33-8-10-34(11-9-33)27(36)19-4-2-3-5-19/h4,6-7,12,14-18H,2-3,5,8-11H2,1H3
InChIKeyXDPMGHBEEDDFDL-UHFFFAOYSA-N
MW478.56 g/mol
LogP3.43
Rot. Bonds4

About 4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155776171) has the molecular formula C27H26N8O and a molecular weight of 478.56 g/mol. Its IUPAC name is 4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155776171
Molecular FormulaC27H26N8O
Molecular Weight478.56 g/mol
Exact Mass478.22
IUPAC Name4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C5=CCCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C27H26N8O/c1-32-17-23(16-30-32)21-12-24(26-22(13-28)15-31-35(26)18-21)20-6-7-25(29-14-20)33-8-10-34(11-9-33)27(36)19-4-2-3-5-19/h4,6-7,12,14-18H,2-3,5,8-11H2,1H3
InChIKeyXDPMGHBEEDDFDL-UHFFFAOYSA-N
XLogP3.43
TPSA95.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-ethyl-N-methylpiperazine-1-carboxamide
CID 126740296
4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 126740404
4-[6-[4-(3-fluoropyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740138
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 126740093
4-[6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 135150193
6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-1-enylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175933963
4-[6-[4-[(3R)-3-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740388
methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 162029969
4-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740279
chloro hypochlorite;6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267110
tert-butyl N-[2-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethyl]carbamate
CID 126752988

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155776171) is 4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C5=CCCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is XDPMGHBEEDDFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O/c1-32-17-23(16-30-32)21-12-24(26-22(13-28)15-31-35(26)18-21)20-6-7-25(29-14-20)33-8-10-34(11-9-33)27(36)19-4-2-3-5-19/h4,6-7,12,14-18H,2-3,5,8-11H2,1H3.
What are the key properties of 4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 478.56 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155776171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).